F1125-0072
TL;DR: F1125-0072 (CAS 500149-82-6) is a chemical compound with molecular formula C31H37N3O4 and molecular weight 515.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: F1125-0072, 3-[2-(4-{3-[2-(butan-2-yl)phenoxy]-2-hydroxypropyl}piperazin-1-yl)ethyl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 2-(2-(4-(3-(2-(sec-butyl)phenoxy)-2-hydroxypropyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-{4-[3-(o-sec-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-2-aza-1H-phenalene-1,3(2H)-dione
| Molecular Formula | C31H37N3O4 |
|---|---|
| Molecular Weight | 515.28 g/mol |
| LogP | 4.0068 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.2784 |
| Heavy Atoms | 38 |
| Complexity | 1250.5292 |
Chemical Identifiers
| CAS Number | 500149-82-6 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
F1125-0072 (CAS 500149-82-6), with molecular formula C31H37N3O4 and molecular weight 515.28 g/mol. IUPAC: 2-[2-[4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of F1125-0072
Property Insights of F1125-0072
The XLogP value of 4.0068 indicates that F1125-0072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F1125-0072. Following Lipinski's Rule of Five, F1125-0072 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1125-0072?
The CAS number of F1125-0072 is 500149-82-6.
What is the molecular formula of F1125-0072?
The molecular formula of F1125-0072 is C31H37N3O4.
What is the molecular weight of F1125-0072?
The molecular weight of F1125-0072 is 515.28 g/mol.
Where can I buy F1125-0072?
You can request a quote for F1125-0072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1125-0072?
Yes, KEHONG BIO provides custom synthesis services for F1125-0072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.